Sugi Predict

Sugi Predict / Compounds / SCHEMBL221802

SCHEMBL221802

SCHEMBL221802

Nc1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 4/20 0.61
▸ NOS3 P29474 3/20 0.61
▸ NOS2 P35228 3/20 0.61
▸ LMNA P02545 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ ADRA2A P08913 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ THPO P40225 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ OGT O15294 1/20 0.53
▸ PDE3B Q13370 2/20 0.53
▸ PDE3A Q14432 2/20 0.53
▸ KMO O15229 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ GFER P55789 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29748363 1.00 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL118727 0.84 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL31607095 0.77 F2 (0.56) OGTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL31607092 0.77 F2 (0.56) OGTNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8380003 0.77 NPC1 (0.58) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL1469801 0.77 NOS1 (0.53) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL14403384 0.76 PSMB8 (0.72) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5543509 0.76 NOS1 (0.61) NOS1NOS3NOS2LMNACYP1A2
Chlorzoxazone SCHEMBL35178 0.76 NOS1 (1.00) NOS1NOS3NOS2LMNACYP1A2
SCHEMBL243203 0.76 NOS1 (1.00) NOS1NOS3NOS2LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 210 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736159-A Preparation method of chlorzoxazone 九江善水科技股份有限公司 2024-03-22 — — CN claimed
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines Bayer ScienceCrop AG (DE) 2011-09-22 — — US claimed
US-20110105472-A1 Diaminopyrimidines as crop protection agents BAYER CROPSCIENCE AG (DE) 2011-05-05 — — US claimed
US-4997920-A Dyeing polyolefins CIBA-GEIGY CORPORATION (US) 1991-03-05 — — US claimed
US-4670486-A Polymer composition pigmented with copper or nickel complexes of ligands containing a semicarbazone moiety CIBA-GEIGY CORPORATION (US) 1987-06-02 — — US claimed
CN-117736159-A Preparation method of chlorzoxazone 九江善水科技股份有限公司 2024-03-22 — — CN disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 — — US disclosed
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2023-02-09 — — US disclosed
US-20220249475-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME RIGEL PHARMACEUTICALS, INC. (US) 2022-08-11 — — US disclosed
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2022-07-26 — — US disclosed
EP-4009974-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME Rigel Pharmaceuticals, Inc. (US) 2022-06-15 — — EP disclosed
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2022-01-27 — — US disclosed
EP-0006154-A1 Monoazo pigments and their use in colouring high molecular-weight organic material CIBA-GEIGY AG (CH) 1980-01-09 — — EP disclosed
US-4173646-A Tricyclicdicarboximides MERCK & CO., INC. (US) 1979-11-06 — — US disclosed
EP-0000737-A1 Monoazo pigments of the acetoacetylamino benzimidazolone series, their preparation and their use for colouring organic material of high molecular weight CIBA-GEIGY AG (CH) 1979-02-21 — — EP disclosed
US-4132799-A TRANQUILIZERS, ANTICONVULSANTS MERCK & CO., INC. (US) 1979-01-02 — — US disclosed
US-4061763-A TRANQUILIZER, ANTICONVULSANT MERCK & CO., INC. (US) 1977-12-06 — — US disclosed
US-4012371-A Benzinaldazolyl-, quinolonyl-, or phenmorpholonylazo-3-cyano-4-methyl-1,2-[1',2']-benz-[4',5']-imidazolo-6-hydroxypyridine colorants CIBA-GEIGY CORPORATION (US) 1977-03-15 — — US disclosed
US-4006233-A TRANQUILIZER, ANTICONVULSANT MERCK & CO., INC. (US) 1977-02-01 — — US disclosed
US-3956266-A DISAZO DYES CIBA-GEIGY CORPORATION (US) 1976-05-11 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220249475-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME IRAK1, IRAK3, IRAK2 NOS1 861/4885NOS3 538/4885NOS2 1247/4885
US-11396517-B1 Exo-aza spiro inhibitors of menin-MLL interaction BMI1, MLLT1, EED NOS1 4211/4885NOS3 4393/4885NOS2 4436/4885
US-20110230478-A1 4-Alkyl-substituted diaminopyrimidines DPM1, DPYD, POLR1C NOS1 2382/4885NOS3 1175/4885NOS2 2599/4885
US-20110105472-A1 Diaminopyrimidines as crop protection agents DDX41, DDX1, DDX5 NOS1 1431/4885NOS3 2655/4885NOS2 2245/4885
US-20230039917-A1 EXO-AZA SPIRO INHIBITORS OF MENIN-MLL INTERACTION BMI1, MLLT1, SUZ12 NOS1 4566/4885NOS3 4578/4885NOS2 4656/4885
US-20220024907-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 NOS1 1879/4885NOS3 472/4885NOS2 1037/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.